Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM237297'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM237297 (Vanillin (14)) Show SMILES COC1CC(CCC1O)C=O Show InChI InChI=1S/C8H14O3/c1-11-8-4-6(5-9)2-3-7(8)10/h5-8,10H,2-4H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.57E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agri Ibrahim Çeçen University					Assay Description Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.				J Enzyme Inhib Med Chem 27: 880-5 (2012) Article DOI: 10.3109/14756366.2011.637202 BindingDB Entry DOI: 10.7270/Q2VH5MRR
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